Drug Design and Discovery

[¹⁸F]MK-7246 for Positron Emission Tomography Imaging of the Beta-Cell Surface Marker GPR44

Cheung, Pierre; Amin, Mohammad A.; Zhang, Bo; Lechi, Francesco et al.

Part of Pharmaceutics, 2023

• DOI for [¹⁸F]MK-7246 for Positron Emission Tomography Imaging of the Beta-Cell Surface Marker GPR44
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2-Alkyl substituted benzimidazoles as a new class of selective AT2 receptor ligands

Roy, Tamal; Petersen, Nadia N.; Gopalan, Greeshma; Gising, Johan et al.

Part of Bioorganic & Medicinal Chemistry, 2022

• DOI for 2-Alkyl substituted benzimidazoles as a new class of selective AT2 receptor ligands
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A Base-Free, Low Temperature Click and Release Reaction for the In Situ Generation of Diazomethane

Schembri, Luke S; Olaniran, Esther; Söderström, Marcus; Skillinghaug, Bobo et al.

Part of Advanced Synthesis and Catalysis, p. 1839-1845, 2023

• DOI for A Base-Free, Low Temperature Click and Release Reaction for the In Situ Generation of Diazomethane
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A Genetically Encoded Picolyl Azide for Improved Live Cell Copper Click Labeling

Meineke, Birthe; Heimgärtner, Johannes; Craig, Alexander J.; Landreh, Michael et al.

Part of Frontiers in Chemistry, 2021

• DOI for A Genetically Encoded Picolyl Azide for Improved Live Cell Copper Click Labeling
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A Study of an 8-Aminoquinoline-Directed C(sp(2))-H Arylation Reaction on the Route to Chiral Cyclobutane Keto Acids from Myrtenal

Lati, Monireh Pourghasemi; Stahle, Jonas; Meyer, Michael; Verho, Oscar

Part of Journal of Organic Chemistry, p. 8527-8537, 2021

• DOI for A Study of an 8-Aminoquinoline-Directed C(sp(2))-H Arylation Reaction on the Route to Chiral Cyclobutane Keto Acids from Myrtenal
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An imidazole based H-Phe-Phe-NH2 peptidomimetic with anti-allodynic effect in spared nerve injury mice

Skogh, Anna; Lesniak, Anna; Sköld, Christian; Karlgren, Maria et al.

Part of Bioorganic & Medicinal Chemistry Letters, p. 2446-2450, 2018

• DOI for An imidazole based H-Phe-Phe-NH2 peptidomimetic with anti-allodynic effect in spared nerve injury mice

Antibacterial sulfonimidamide-based oligopeptides as type I signal peptidase inhibitors: Synthesis and biological evaluation

Benediktsdottir, Andrea; Lu, Lu; Cao, Sha; Zamaratski, Edouard et al.

Part of European Journal of Medicinal Chemistry, 2021

• DOI for Antibacterial sulfonimidamide-based oligopeptides as type I signal peptidase inhibitors: Synthesis and biological evaluation
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Antimicrobial Peptides Incorporating Halogenated Marine-Derived Amino Acid Substituents

Craig, Alexander J.; Ermolovich, Yuri; Cameron, Alan; Rodler, Agnes et al.

Part of ACS Medicinal Chemistry Letters, p. 802-809, 2023

• DOI for Antimicrobial Peptides Incorporating Halogenated Marine-Derived Amino Acid Substituents

Bacterial type I signal peptidase inhibitors-Optimized hits from nature

Szalaj, Natalia; Benediktsdottir, Andrea; Rusin, Dominika; Karlén, Anders et al.

Part of European Journal of Medicinal Chemistry, 2022

• DOI for Bacterial type I signal peptidase inhibitors-Optimized hits from nature

Benzothiadiazole-based donor-acceptor fluorophores: Synthesis and structure-property relationship

Aidanpää, Louise

2021

Bifunctional and regenerable molecular electrode for water electrolysis at neutral pH

Das, Biswanath; Toledo-Carrillo, Esteban A.; Li, Guoqi; Stahle, Jonas et al.

Part of Journal of Materials Chemistry A, p. 13331-13340, 2023

• DOI for Bifunctional and regenerable molecular electrode for water electrolysis at neutral pH
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C1 Building Blocks: New Approaches for Thiomethylations and Esterification

Söderström, Marcus

2023

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Cellular uptake of self-assembled phytantriol-based hexosomes is independent of major endocytic machineries

Rodrigues, Leticia; Schneider, Fabian; Zhang, Xiaohan; Larsson, Elin et al.

Part of Journal of Colloid and Interface Science, p. 820-833, 2019

• DOI for Cellular uptake of self-assembled phytantriol-based hexosomes is independent of major endocytic machineries

Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)

Felgate, Stacey; Craig, Alexander J.; Moodie, Lindon W. K.; Hawkes, Jeffrey A.

Part of Analytical Chemistry, p. 6559-6567, 2023

• DOI for Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)
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Characterization of More Selective Central Nervous System Nrf2-Activating Novel Vinyl Sulfoximine Compounds Compared to Dimethyl Fumarate

Carlström, Karl E.; Chinthakindi, Praveen K.; Espinosa, Belen; Al Nimer, Faiez et al.

Part of NEUROTHERAPEUTICS, p. 1142-1152, 2020

• DOI for Characterization of More Selective Central Nervous System Nrf2-Activating Novel Vinyl Sulfoximine Compounds Compared to Dimethyl Fumarate
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Chemotherapeutics Combined with Luminal Irritants: Effects on Small-Intestinal Mannitol Permeability and Villus Length in Rats

Cano-Cebrian, Maria-Jose; Dahlgren, David; Kullenberg, Fredrik; Peters, Karsten et al.

Part of International Journal of Molecular Sciences, 2022

• DOI for Chemotherapeutics Combined with Luminal Irritants: Effects on Small-Intestinal Mannitol Permeability and Villus Length in Rats
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Cobalt Electrocatalyst on Fluorine Doped Carbon Cloth - a Robust and Partially Regenerable Anode for Water Oxidation

Das, Biswanath; Toledo-Carrillo, Esteban Alejandro; Li, Lin; Ye, Fei et al.

Part of ChemCatChem, 2022

• DOI for Cobalt Electrocatalyst on Fluorine Doped Carbon Cloth - a Robust and Partially Regenerable Anode for Water Oxidation

Computational studies of molecular pre-organization through macrocyclization: Conformational distribution analysis of closely related non-macrocyclic and macrocyclic analogs

Olanders, Gustav; Brandt, Peter; Sköld, Christian; Karlen, Anders

Part of Bioorganic & Medicinal Chemistry, 2021

• DOI for Computational studies of molecular pre-organization through macrocyclization: Conformational distribution analysis of closely related non-macrocyclic and macrocyclic analogs
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Conformational Analysis of Macrocycles: Comparing General and Specialized Methods

Olanders, Gustav; Alogheli, Hiba; Brandt, Peter; Karlén, Anders

Part of Journal of Computer-Aided Molecular Design, p. 231-252, 2020

• DOI for Conformational Analysis of Macrocycles: Comparing General and Specialized Methods
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Conformational Changes in Insulin Regulated Aminopeptidase

Moes, Sebastian

2021

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Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors

Benediktsdottir, Andrea; Sooriyaarachchi, Sanjeewani; Cao, Sha; Ottosson, Nina E. et al.

Development of an improved psilocybin synthesis

Shaba, Reham

2020

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Dipolar Relaxation of Water Protons in the Vicinity of a Collagen-like Peptide

Karjalainen, Jouni; Henschel, Henning; Nissi, Mikko J.; Nieminen, Miika T. et al.

Part of Journal of Physical Chemistry B, p. 2538-2551, 2022

• DOI for Dipolar Relaxation of Water Protons in the Vicinity of a Collagen-like Peptide
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Drug Design of β-Lactamase Inhibitors of the DBO-scaffold against OXA-48: A Molecular Dynamics Study of Ligand Stability in the Michaelis Complex

Liljeholm, Linda

2022

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Drug Resistance and Endoplasmic Reticulum Stress in Hepatocellular Carcinoma

Khaled, Jaafar; Kopsida, Maria; Lennernäs, Hans; Heindryckx, Femke

Part of Cells, 2022

• DOI for Drug Resistance and Endoplasmic Reticulum Stress in Hepatocellular Carcinoma
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Electrochemical Palladium-Catalyzed Oxidative Carbonylation-Cyclization of Enallenols

Zhang, Jianwei; Das, Biswanath; Verho, Oscar; Bäckvall, Jan-E.

Part of Angewandte Chemie International Edition, 2022

• DOI for Electrochemical Palladium-Catalyzed Oxidative Carbonylation-Cyclization of Enallenols
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Bani Al Marjeh, Enas

2023

• DOI for -: -

ENABLE: an engine for European antibacterial drug discovery and development

Olliver, Marie; Griestop, Laura; Hughes, Diarmaid; Belfrage, Anna Karin et al.

Part of Nature reviews. Drug discovery, p. 407-408, 2021

• DOI for ENABLE: an engine for European antibacterial drug discovery and development

Enantioselective Synthesis of Atropisomeric Biaryls using Biaryl 2,5-Diphenylphospholanes as Ligands for Palladium-Catalysed Suzuki-Miyaura Reactions

Byrne, Liam; Sköld, Christian; Norrby, Per-Ola; Munday, Rachel H. et al.

Part of Advanced Synthesis and Catalysis, p. 259-267, 2021

• DOI for Enantioselective Synthesis of Atropisomeric Biaryls using Biaryl 2,5-Diphenylphospholanes as Ligands for Palladium-Catalysed Suzuki-Miyaura Reactions

Enhanced Risk Assessment of Transformation Products through Chemical Similarity Analysis

Löffler, Paul; Lai, Adelene; Henschel, Henning; Spilsbury, Francis et al.

Part of ACS - ES & T Water, p. 1949-1951, 2024

• DOI for Enhanced Risk Assessment of Transformation Products through Chemical Similarity Analysis
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Green multifunctional palladium nanoparticles from polysaccharide cordia myxa (CMY) gum: Synthesis, characterization, and antibacterial activity

Nagaraja, Kasula; Bagineni, Prasad; Almarhoon, Zainab M.; Oh, Tae Hwan

Part of Colloids and Surfaces A, 2023

• DOI for Green multifunctional palladium nanoparticles from polysaccharide cordia myxa (CMY) gum: Synthesis, characterization, and antibacterial activity

High affinity rigidified AT(2) receptor ligands with indane scaffolds

Wallinder, Charlotta; Sköld, Christian; Sundholm, Sara; Guimond, Marie-Odile et al.

Part of MedChemComm, p. 2146-2160, 2019

• DOI for High affinity rigidified AT(2) receptor ligands with indane scaffolds
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Hybrid Machine Learning Approach to Predict the Site Selectivity of Iridium-Catalyzed Arene Borylation

Caldeweyher, Eike; Elkin, Masha; Gheibi, Golsa; Johansson, Magnus et al.

Part of Journal of the American Chemical Society, p. 17367-17376, 2023

• DOI for Hybrid Machine Learning Approach to Predict the Site Selectivity of Iridium-Catalyzed Arene Borylation

Identification of a C2-symmetric diol based human immunodeficiency virus protease inhibitor targeting Zika virus NS2B-NS3 protease

Akaberi, Dario; Chinthakindi, Praveen K.; Båhlström, Amanda; Palanisamy, Navaneethan et al.

Part of Journal of Biomolecular Structure and Dynamics, p. 5526-5536, 2020

• DOI for Identification of a C2-symmetric diol based human immunodeficiency virus protease inhibitor targeting Zika virus NS2B-NS3 protease
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Identification of unique and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries

Akaberi, Dario; Pourghasemi Lati, Monireh; Krambrich, Janina; Berger, Julia et al.

Imitation of β-lactam binding enables broad-spectrum metallo-β-lactamase inhibitors

Brem, Jürgen; Panduwawala, Tharindi; Hansen, Jon Ulf; Hewitt, Joanne et al.

Part of Nature Chemistry, p. 15-24, 2022

• DOI for Imitation of β-lactam binding enables broad-spectrum metallo-β-lactamase inhibitors

Influence of Detergent and Lipid Composition on Reconstituted Membrane Proteins for Structural Studies

Mouhib, Mohammed; Benediktsdottir, Andrea; Svensson Nilsson, Caroline; Chi, Celestine N.

Part of ACS Omega, p. 24377-24381, 2021

• DOI for Influence of Detergent and Lipid Composition on Reconstituted Membrane Proteins for Structural Studies
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Influence of extracellular matrix composition on tumour cell behaviour in a biomimetic in vitro model for hepatocellular carcinoma

Calitz, Carlemi; Rosenquist, Jenny; Degerstedt, Oliver; Khaled, Jaafar et al.

Part of Scientific Reports, 2023

• DOI for Influence of extracellular matrix composition on tumour cell behaviour in a biomimetic in vitro model for hepatocellular carcinoma
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Intestinal absorption of BCS class II drugs administered as nanoparticles: A review based on in vivo data from intestinal perfusion models

Dahlgren, David; Sjögren, Erik; Lennernäs, Hans

Part of ADMET & DMPK, p. 375-390, 2020

• DOI for Intestinal absorption of BCS class II drugs administered as nanoparticles: A review based on in vivo data from intestinal perfusion models
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Investigation of the Deactivation and Reactivation Mechanism of a Heterogeneous Palladium(II) Catalyst in the Cycloisomerization of Acetylenic Acids by In Situ XAS

Yuan, Ning; Gudmundsson, Arnar; Gustafson, Karl P. J.; Oschmann, Michael et al.

Part of ACS Catalysis, p. 2999-3008, 2021

• DOI for Investigation of the Deactivation and Reactivation Mechanism of a Heterogeneous Palladium(II) Catalyst in the Cycloisomerization of Acetylenic Acids by In Situ XAS
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Late-Stage Defluorinative Functionalization: Synthesis of Methyl-Dithioesters and Thioamides from Trifluoromethylarenes

Söderström, Marcus; Odell, Luke R.

Macrocyclic Peptidomimetics as Inhibitors of Insulin-Regulated Aminopeptidase (IRAP)

Barlow, Nicholas; Reddy Vanga, Sudarsana; Sävmarker, Jonas; Sandström, Anja et al.

Part of RSC Medicinal chemistry, p. 234-244, 2020

• DOI for Macrocyclic Peptidomimetics as Inhibitors of Insulin-Regulated Aminopeptidase (IRAP)

Melatonin mitigates chemotherapy-induced small intestinal atrophy in rats and reduces cytotoxicity in murine intestinal organoids

Peters, Karsten; Lerma Clavero, Ada; Kullenberg, Fredrik; Kopsida, Maria et al.

Model-based interspecies scaling for predicting human pharmacokinetics of CB 4332, a complement factor I protein

Ayoun Alsoud, Rami; Le Moan, Natacha; Holten-Andersen, Lars; Knudsen, Tom et al.

Nanocatalysis Meets Biology

Verho, Oscar; Backvall, Jan-E.

Part of Nanoparticles in catalysis, p. 243-278, Springer Nature, 2020

• DOI for Nanocatalysis Meets Biology

N-(Heteroaryl)thiophene sulfonamides as angiotensin AT2 receptor ligands

Wannberg, Johan; Gising, Johan; Henriksson, Martin; Vo, Duc Duy et al.

Part of European Journal of Medicinal Chemistry, 2024

• DOI for N-(Heteroaryl)thiophene sulfonamides as angiotensin AT2 receptor ligands
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Novel food drug interaction mechanism involving acyclovir, chitosan and endogenous mucus

Garcia, Mauricio A.; Hensler, Gonul; Al-Gousous, Jozef; Pielenhofer, Jonas et al.

Part of Drug Metabolism and Pharmacokinetics, 2023

• DOI for Novel food drug interaction mechanism involving acyclovir, chitosan and endogenous mucus

On-Tissue Chemical Derivatization for Comprehensive Mapping of Brain Carboxyl and Aldehyde Metabolites by MALDI-MS Imaging

Kaya, Ibrahim; Schembri, Luke S; Nilsson, Anna; Shariatgorji, Reza et al.

Part of Journal of the American Society for Mass Spectrometry, p. 836-846, 2023

• DOI for On-Tissue Chemical Derivatization for Comprehensive Mapping of Brain Carboxyl and Aldehyde Metabolites by MALDI-MS Imaging
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Optimizing machine learning boosted docking to accelerate structure-based virtual screenings

Bezobrazov, Alexandre

2023

Organic reactivity from mechanism to machine learning

Jorner, Kjell; Tomberg, Anna; Bauer, Christoph; Sköld, Christian et al.

Part of Nature Reviews Chemistry, p. 240-255, 2021

• DOI for Organic reactivity from mechanism to machine learning